/*
 * Dipoles.h
 *
 *  Created on: Sep 4, 2013
 *      Author: marchi
 */

#ifndef DIPOLES_H_
#define DIPOLES_H_

#include "MAtoms.h"
#include "Parameters.h"
#include <fstream>
#include <sstream>
#include <algorithm>

using std::cout;
using std::endl;
using namespace Parameters;
class Dipoles: public MAtoms {
	istream * fin;
	vector<double> chg;
	vector<Dvect> dipole;
public:
	Dipoles(): MAtoms() , fin(NULL){};
	Dipoles(Atoms & x): MAtoms(x), fin(NULL){};
	Dipoles(ifstream & finx): MAtoms(), fin(NULL) {
		fin=&finx;
	}
	void initLists(TopolPDB &,vector<string> &);
	void gDipole();
	void dPrint(ostream &);
	virtual ~Dipoles();
};

#endif /* DIPOLES_H_ */
